I have upgraded my crown ether tutorial under
http://amber.ch.ic.ac.uk/tutorial/index.html
adding much theoretical discussion. The overall structure is now:
- building the model
- normal modes analysis (old amber demo)
- dynamics
- equilibration
- energy conservation
- equipartition
- perturbation of complexed ion
- hysteresis
- trajectory analysis
Bill Ross
Received on Sat May 29 1999 - 16:45:06 PDT
